Materials Data on U(SiIr)2 by Materials Project

doi:10.17188/1198952

Title: Materials Data on U(SiIr)2 by Materials Project

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Abstract

UIr2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to eight Ir and eight Si atoms. There are four shorter (3.11 Å) and four longer (3.25 Å) U–Ir bond lengths. There are four shorter (3.14 Å) and four longer (3.17 Å) U–Si bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent U and five Si atoms. There are one shorter (2.35 Å) and four longer (2.41 Å) Ir–Si bond lengths. In the second Ir site, Ir is bonded to four equivalent U and four equivalent Si atoms to form distorted IrU4Si4 tetrahedra that share corners with twelve equivalent SiU4Ir4 tetrahedra, edges with two equivalent SiU4Ir4 tetrahedra, edges with four equivalent IrU4Si4 tetrahedra, and faces with four equivalent IrU4Si4 tetrahedra. All Ir–Si bond lengths are 2.44 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent U and five Ir atoms. In the second Si site, Si is bonded to four equivalent U and four equivalent Ir atoms to form distorted SiU4Ir4 tetrahedra that sharemore »« less

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-22758

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; U(SiIr)2; Ir-Si-U

OSTI Identifier:: 1198952

DOI:: https://doi.org/10.17188/1198952

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                    The Materials Project. Materials Data on U(SiIr)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1198952.

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                    The Materials Project. Materials Data on U(SiIr)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1198952

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                    The Materials Project. 2020.  
"Materials Data on U(SiIr)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1198952.  https://www.osti.gov/servlets/purl/1198952. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1198952,

  title        = {Materials Data on U(SiIr)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UIr2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to eight Ir and eight Si atoms. There are four shorter (3.11 Å) and four longer (3.25 Å) U–Ir bond lengths. There are four shorter (3.14 Å) and four longer (3.17 Å) U–Si bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent U and five Si atoms. There are one shorter (2.35 Å) and four longer (2.41 Å) Ir–Si bond lengths. In the second Ir site, Ir is bonded to four equivalent U and four equivalent Si atoms to form distorted IrU4Si4 tetrahedra that share corners with twelve equivalent SiU4Ir4 tetrahedra, edges with two equivalent SiU4Ir4 tetrahedra, edges with four equivalent IrU4Si4 tetrahedra, and faces with four equivalent IrU4Si4 tetrahedra. All Ir–Si bond lengths are 2.44 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent U and five Ir atoms. In the second Si site, Si is bonded to four equivalent U and four equivalent Ir atoms to form distorted SiU4Ir4 tetrahedra that share corners with twelve equivalent IrU4Si4 tetrahedra, edges with two equivalent IrU4Si4 tetrahedra, edges with four equivalent SiU4Ir4 tetrahedra, and faces with four equivalent SiU4Ir4 tetrahedra.},

  doi          = {10.17188/1198952},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1198952

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Materials Data on U(SiIr)2 by Materials Project

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UIr2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Si atoms. All U–Ir bond lengths are 3.22 Å. All U–Si bond lengths are 3.07 Å. Ir is bonded to four equivalent U and four equivalent Si atoms to form a mixture of distorted edge, face, and corner-sharing IrU4Si4 tetrahedra. All Ir–Si bond lengths are 2.43 Å. Si is bonded in a 9-coordinate geometry to four equivalent U, four equivalent Ir, and one Si atom. The Si–Si bond length is 2.30 Å.
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Np(IrSi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Np is bonded in a 4-coordinate geometry to eight Ir and eight Si atoms. There are four shorter (3.13 Å) and four longer (3.29 Å) Np–Ir bond lengths. There are four shorter (3.16 Å) and four longer (3.18 Å) Np–Si bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Np and four equivalent Si atoms to form distorted IrNp4Si4 tetrahedra that share corners with twelve equivalent SiNp4Ir4 tetrahedra, edges with two equivalent SiNp4Ir4 tetrahedra, edges with four equivalentmore »« less
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